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	hartrees
Energy at 0K	-899.114826
Energy at 298.15K	-899.118525
HF Energy	-899.114826
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1213	1160	287.06
2	A₁	806	771	291.10
3	A₁	751	719	66.54
4	A₁	583	557	10.42
5	A₁	393	376	62.19
6	A₂	371	355	0.00
7	B₁	1395	1335	292.44
8	B₁	557	533	52.21
9	B₁	110	105	45.48
10	B₂	792	757	400.78
11	B₂	627	600	3.81
12	B₂	460	440	0.21

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	-1.909
S2	0.000	0.000	0.589
O3	0.000	1.204	-0.473
O4	0.000	-1.204	-0.473
O5	-1.244	0.000	1.315
O6	1.244	0.000	1.315

	Mg1	S2	O3	O4	O5	O6
Mg1		2.4987	1.8745	1.8745	3.4560	3.4560
S2	2.4987		1.6058	1.6058	1.4401	1.4401
O3	1.8745	1.6058		2.4085	2.4887	2.4887
O4	1.8745	1.6058	2.4085		2.4887	2.4887
O5	3.4560	1.4401	2.4887	2.4887		2.4878
O6	3.4560	1.4401	2.4887	2.4887	2.4878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Mg1	O3	S2	91.440	Mg1	O4	S2	91.440
O3	Mg1	O4	79.946	O3	S2	O4	97.174
O3	S2	O5	109.470	O3	S2	O6	109.470
O4	S2	O5	109.470	O4	S2	O6	109.470
O5	S2	O6	119.485

All results from a given calculation for MgSO₄ (Magnesium Sulfate)

using model chemistry: wB97X-D/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Mg	1.101
2	S	1.253
3	O	-0.674
4	O	-0.674
5	O	-0.504
6	O	-0.504

	x	y	z	Total
	0.000	0.000	-13.475	13.475
CHELPG
AIM
ESP

<r²>	152.094
(<r²>)^1/2	12.333

All results from a given calculation for MgSO4 (Magnesium Sulfate)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for MgSO₄ (Magnesium Sulfate)